==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 30-AUG-04 1XB6 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.TIGERSTROM,F.SCHWARZ,G.KARLSSON,M.OKVIST,C.ALVAREZ-RUA, . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 19.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 97 0, 0.0 2,-0.8 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 132.7 40.4 67.3 39.7 2 2 A E + 0 0 153 1,-0.1 21,-0.7 24,-0.0 24,-0.1 -0.898 360.0 171.4-101.0 103.8 36.9 68.0 38.2 3 3 A a + 0 0 42 -2,-0.8 27,-2.0 19,-0.1 2,-0.3 0.052 52.5 51.4-109.4 24.3 34.8 65.1 39.2 4 4 A S E -a 30 0A 69 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.983 54.0-164.5-153.3 160.9 31.4 66.2 38.1 5 5 A V E -a 31 0A 35 25,-2.0 27,-2.9 -2,-0.3 2,-0.5 -0.987 14.8-141.5-145.9 143.0 29.5 67.6 35.1 6 6 A D E -a 32 0A 116 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.921 26.0-177.7-104.3 129.9 26.1 69.3 34.7 7 7 A I E -a 33 0A 0 25,-2.9 27,-2.1 -2,-0.5 2,-0.4 -0.969 11.6-154.4-130.8 145.0 24.2 68.2 31.6 8 8 A Q E -a 34 0A 89 -2,-0.4 8,-1.5 25,-0.2 2,-0.4 -0.958 4.0-162.7-118.8 143.7 20.9 69.4 30.2 9 9 A G B -C 15 0B 0 25,-2.2 6,-0.2 -2,-0.4 37,-0.1 -0.994 24.0-164.6-120.2 129.6 18.4 67.6 27.9 10 10 A N > - 0 0 33 4,-2.2 3,-0.9 -2,-0.4 27,-0.1 -0.182 36.3 -89.2-111.8-170.2 15.9 69.9 26.2 11 11 A D T 3 S+ 0 0 23 1,-0.2 26,-0.1 2,-0.1 34,-0.0 0.416 118.2 60.5 -79.5 0.2 12.6 69.9 24.3 12 12 A Q T 3 S- 0 0 130 2,-0.2 -1,-0.2 32,-0.0 25,-0.0 -0.039 119.5-100.1-118.1 20.6 14.4 69.5 20.9 13 13 A M S < S+ 0 0 58 -3,-0.9 2,-0.4 1,-0.2 -2,-0.1 0.858 79.5 131.7 65.3 41.6 16.1 66.1 21.7 14 14 A Q - 0 0 98 107,-0.1 -4,-2.2 -4,-0.1 2,-0.3 -0.981 47.1-154.9-126.6 136.1 19.6 67.6 22.5 15 15 A F B -C 9 0B 24 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.765 28.9-127.3 -87.6 154.5 22.1 67.2 25.3 16 16 A N S S+ 0 0 91 -8,-1.5 2,-0.3 -2,-0.3 -7,-0.1 0.269 90.1 40.1 -95.9 15.4 24.3 70.3 25.7 17 17 A T - 0 0 44 -9,-0.2 3,-0.1 105,-0.0 -2,-0.1 -0.960 52.6-170.2-148.5 150.2 27.5 68.3 25.5 18 18 A N S S+ 0 0 51 -2,-0.3 106,-1.8 1,-0.2 2,-0.3 0.157 77.7 48.4-120.6 18.0 28.6 65.4 23.3 19 19 A A E -d 124 0C 35 104,-0.2 2,-0.4 233,-0.1 -1,-0.2 -0.871 61.0-169.8-159.9 118.7 31.9 64.6 25.1 20 20 A I E -d 125 0C 6 104,-3.0 106,-2.4 -2,-0.3 2,-0.5 -0.918 9.4-153.3-112.3 140.2 32.5 64.1 28.8 21 21 A T E -d 126 0C 75 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.963 3.8-161.5-115.4 125.8 36.0 63.8 30.4 22 22 A V E -d 127 0C 0 104,-3.1 106,-2.1 -2,-0.5 2,-0.2 -0.924 17.4-136.4-111.6 105.2 36.6 61.9 33.6 23 23 A D > - 0 0 30 -21,-0.7 3,-2.0 -2,-0.6 76,-0.1 -0.395 12.7-142.2 -54.1 121.4 39.8 62.7 35.4 24 24 A R T 3 S+ 0 0 106 104,-2.9 -1,-0.2 1,-0.3 103,-0.0 0.590 96.4 70.1 -75.6 -7.9 41.1 59.3 36.5 25 25 A S T 3 S+ 0 0 85 103,-0.4 2,-0.3 74,-0.0 -1,-0.3 0.608 79.3 99.7 -77.5 -14.0 42.3 60.7 39.8 26 26 A a < - 0 0 6 -3,-2.0 73,-0.1 1,-0.2 3,-0.1 -0.569 62.9-158.0 -68.3 128.7 38.6 61.1 40.8 27 27 A K S S+ 0 0 186 -2,-0.3 72,-2.1 1,-0.2 73,-0.5 0.920 81.7 13.6 -72.1 -42.4 37.5 58.2 43.0 28 28 A Q E S- B 0 98A 100 70,-0.2 2,-0.4 71,-0.1 70,-0.2 -0.925 70.4-148.7-130.1 155.0 33.9 58.9 41.9 29 29 A F E - B 0 97A 2 68,-2.4 68,-2.4 -2,-0.3 2,-0.4 -0.987 11.0-154.2-127.2 139.6 32.3 60.9 39.1 30 30 A T E -aB 4 96A 32 -27,-2.0 -25,-2.0 -2,-0.4 2,-0.5 -0.933 5.8-163.0-120.8 134.2 28.9 62.7 39.3 31 31 A V E -aB 5 95A 0 64,-2.7 64,-2.1 -2,-0.4 2,-0.7 -0.977 6.1-161.6-114.7 120.2 26.5 63.6 36.5 32 32 A N E -aB 6 94A 51 -27,-2.9 -25,-2.9 -2,-0.5 2,-0.4 -0.907 14.1-166.8-101.5 108.5 23.9 66.2 37.3 33 33 A L E +aB 7 93A 1 60,-2.7 60,-2.3 -2,-0.7 2,-0.3 -0.812 10.8 171.7-101.3 134.8 21.1 66.0 34.7 34 34 A S E -aB 8 92A 44 -27,-2.1 -25,-2.2 -2,-0.4 58,-0.2 -0.862 24.4-138.8-132.4 169.7 18.3 68.6 34.2 35 35 A H - 0 0 4 56,-1.1 55,-2.6 -2,-0.3 56,-0.2 -0.783 14.3-169.3-135.3 86.9 15.6 69.2 31.7 36 36 A P + 0 0 51 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.288 54.8 56.5 -60.8 159.3 14.9 72.8 30.5 37 37 A G S S- 0 0 49 -27,-0.1 53,-0.1 1,-0.1 -2,-0.1 -0.671 86.6 -95.7 110.0-170.8 11.7 73.1 28.5 38 38 A N S S+ 0 0 125 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.322 74.3 115.2-133.4 -0.6 8.1 72.3 29.2 39 39 A L - 0 0 59 -3,-0.2 50,-1.9 5,-0.1 5,-0.0 -0.622 63.5-117.6 -81.3 137.2 7.4 68.8 27.7 40 40 A P >> - 0 0 62 0, 0.0 4,-2.2 0, 0.0 3,-1.4 -0.191 23.8-104.3 -73.9 165.5 6.5 66.0 30.1 41 41 A K H 3> S+ 0 0 75 1,-0.3 4,-1.3 2,-0.2 46,-0.1 0.769 113.7 62.1 -59.1 -31.4 8.5 62.8 30.7 42 42 A N H 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.713 119.6 24.5 -76.4 -15.3 6.1 60.5 28.8 43 43 A V H <4 S+ 0 0 73 -3,-1.4 -2,-0.2 71,-0.0 -1,-0.2 0.607 142.4 15.2-116.7 -24.1 6.8 62.4 25.5 44 44 A M H < S+ 0 0 23 -4,-2.2 -3,-0.2 2,-0.0 -2,-0.2 -0.086 82.6 154.7-144.5 35.8 10.2 64.0 25.9 45 45 A G < - 0 0 0 -4,-1.3 2,-0.4 -5,-0.1 43,-0.2 -0.358 23.3-160.5 -64.8 146.3 11.7 62.2 28.9 46 46 A H B +H 87 0D 1 41,-2.3 41,-3.1 -37,-0.1 2,-0.3 -0.985 14.3 176.1-132.0 140.6 15.5 62.0 29.2 47 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.3 39,-0.1 -0.816 27.6-128.8-124.1 172.5 17.9 59.9 31.1 48 48 A W + 0 0 0 -2,-0.3 36,-2.3 37,-0.2 2,-0.4 -0.990 32.6 178.8-124.0 114.9 21.7 59.7 31.2 49 49 A V E -EF 83 111C 0 62,-2.3 62,-1.8 -2,-0.5 2,-0.4 -0.976 12.5-156.9-124.2 136.6 22.9 56.1 30.7 50 50 A L E +EF 82 110C 0 32,-2.6 31,-2.2 -2,-0.4 32,-1.0 -0.942 27.3 135.9-117.5 131.4 26.5 54.9 30.5 51 51 A S E - F 0 109C 0 58,-2.1 58,-2.6 -2,-0.4 29,-0.1 -0.926 59.1 -70.7-150.3 177.2 27.8 51.8 28.8 52 52 A T E >> - F 0 108C 22 27,-0.4 4,-0.8 -2,-0.3 3,-0.5 -0.409 49.0-115.1 -63.5 152.6 30.6 50.6 26.6 53 53 A A G >4 S+ 0 0 5 54,-2.9 3,-0.9 1,-0.2 4,-0.4 0.904 117.1 56.4 -56.0 -40.0 30.2 51.9 23.0 54 54 A A G 34 S+ 0 0 58 53,-0.4 4,-0.3 1,-0.2 3,-0.2 0.792 108.7 46.9 -61.6 -31.2 29.7 48.2 21.9 55 55 A D G <> S+ 0 0 58 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.558 86.0 90.9 -89.8 -11.8 26.8 47.7 24.2 56 56 A M H S+ 0 0 70 -4,-0.4 4,-2.5 -3,-0.2 -1,-0.2 0.910 113.1 45.8 -60.7 -41.8 22.7 49.6 20.7 58 58 A G H > S+ 0 0 24 -4,-0.3 4,-3.0 2,-0.2 5,-0.3 0.919 112.5 50.3 -64.5 -45.7 21.6 46.6 22.9 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 15,-0.3 0.922 113.6 46.2 -58.9 -41.7 20.9 48.8 25.9 60 60 A V H X S+ 0 0 26 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.931 114.6 46.0 -69.5 -46.2 18.8 51.2 23.8 61 61 A T H X S+ 0 0 66 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.948 116.8 43.3 -62.6 -50.3 16.9 48.4 22.1 62 62 A D H X S+ 0 0 53 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.862 111.8 55.6 -65.4 -34.3 16.1 46.5 25.3 63 63 A G H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.891 105.3 52.4 -63.8 -41.1 15.4 49.7 27.1 64 64 A M H >< S+ 0 0 108 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.954 108.5 50.4 -55.7 -50.3 12.8 50.5 24.4 65 65 A A H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.742 103.2 62.5 -62.5 -25.2 11.1 47.1 25.0 66 66 A S H 3< S- 0 0 31 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.766 97.4-147.4 -76.4 -31.2 11.0 47.8 28.8 67 67 A G X<> - 0 0 23 -4,-1.1 5,-2.6 -3,-0.9 3,-1.3 0.031 28.5 -61.1 91.5 167.6 8.7 50.8 28.6 68 68 A L G > 5S+ 0 0 52 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.839 124.6 62.9 -60.6 -36.1 8.2 54.0 30.5 69 69 A D G 3 5S+ 0 0 162 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.709 108.2 45.1 -65.2 -19.0 7.3 52.4 33.8 70 70 A K G X 5S- 0 0 117 -3,-1.3 3,-1.0 -4,-0.2 -1,-0.3 0.127 119.1-110.1-106.6 17.9 10.9 51.0 33.8 71 71 A D T < 5 - 0 0 41 -3,-2.0 -3,-0.2 1,-0.2 42,-0.2 0.772 66.3 -71.3 56.1 28.4 12.5 54.3 32.7 72 72 A Y T 3 - 0 0 91 -2,-0.4 3,-1.8 -15,-0.3 -11,-0.1 -0.510 50.0-102.4 -62.2 124.1 16.1 46.6 31.1 75 75 A P T 3 S- 0 0 67 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.273 100.1 -0.6 -53.3 133.3 15.9 45.9 34.8 76 76 A D T 3 S- 0 0 162 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.707 84.9-173.2 61.6 27.1 19.3 45.0 36.2 77 77 A D X - 0 0 14 -3,-1.8 3,-1.6 1,-0.2 -1,-0.2 -0.310 16.8-153.0 -58.4 114.3 20.9 45.4 32.8 78 78 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.677 90.6 62.1 -62.9 -17.6 24.5 44.2 33.4 79 79 A R T 3 S+ 0 0 49 -24,-0.1 2,-0.8 -28,-0.1 -27,-0.4 0.625 80.8 93.1 -84.6 -15.6 25.7 46.4 30.5 80 80 A V < - 0 0 26 -3,-1.6 -29,-0.2 1,-0.2 3,-0.1 -0.733 50.7-177.0 -86.9 110.6 24.7 49.7 32.3 81 81 A I S S- 0 0 35 -31,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.872 70.6 -17.0 -72.5 -39.3 27.6 51.0 34.2 82 82 A A E +E 50 0C 10 -32,-1.0 -32,-2.6 15,-0.1 -1,-0.3 -0.967 66.8 176.0-163.9 152.1 25.6 53.9 35.6 83 83 A H E -E 49 0C 89 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.985 21.7-136.1-159.8 150.6 22.4 55.7 35.0 84 84 A T - 0 0 1 -36,-2.3 2,-0.1 -2,-0.3 11,-0.1 -0.417 41.7 -95.8 -83.6 177.0 20.0 58.4 36.2 85 85 A K - 0 0 102 -2,-0.2 2,-0.4 9,-0.1 -37,-0.2 -0.389 48.7 -88.1 -80.0 171.8 16.3 58.0 36.3 86 86 A L - 0 0 0 -39,-0.1 2,-0.3 -2,-0.1 -39,-0.3 -0.711 51.8-166.5 -83.8 130.2 14.2 59.3 33.4 87 87 A I B -H 46 0D 0 -41,-3.1 -41,-2.3 -2,-0.4 2,-0.2 -0.919 12.7-152.0-122.1 153.3 13.1 62.9 33.9 88 88 A G > - 0 0 3 -2,-0.3 3,-2.0 -43,-0.2 -53,-0.2 -0.489 52.0 -50.3-107.7-178.6 10.6 65.3 32.4 89 89 A S T 3 S+ 0 0 33 -50,-1.9 -1,-0.2 1,-0.3 -48,-0.1 -0.161 125.8 16.6 -57.8 140.5 10.7 69.1 32.1 90 90 A G T 3 S+ 0 0 77 -55,-2.6 -1,-0.3 1,-0.3 2,-0.1 0.346 105.1 107.1 80.6 -4.3 11.6 70.9 35.3 91 91 A E < - 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